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Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate
In the title phosphorylated compound, C(20)H(26)Cl(3)N(2)O(6)P, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of molecules are linked by N—H⋯O and weak C—H⋯O hydr...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038616/ https://www.ncbi.nlm.nih.gov/pubmed/30002885 http://dx.doi.org/10.1107/S2056989018008277 |
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author | Brovarets, V. S. Golovchenko, O. V. Rusanov, E. B. Rusanova, J. A. |
author_facet | Brovarets, V. S. Golovchenko, O. V. Rusanov, E. B. Rusanova, J. A. |
author_sort | Brovarets, V. S. |
collection | PubMed |
description | In the title phosphorylated compound, C(20)H(26)Cl(3)N(2)O(6)P, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of molecules are linked by N—H⋯O and weak C—H⋯O hydrogen bonds involving the same acceptor atom, forming inversion dimers. In addition, π–π stacking interactions between the phthalimide groups, with a centroid–centroid distance of 3.7736 (13) Å, and further weak C—H⋯O hydrogen bonds connect the inversion dimers into columns along [0[Image: see text]1]. |
format | Online Article Text |
id | pubmed-6038616 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-60386162018-07-12 Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate Brovarets, V. S. Golovchenko, O. V. Rusanov, E. B. Rusanova, J. A. Acta Crystallogr E Crystallogr Commun Research Communications In the title phosphorylated compound, C(20)H(26)Cl(3)N(2)O(6)P, the phthalimide unit is essentially planar (r.m.s. deviation = 0.0129 Å) and the O atoms of this unit deviate from the mean plane by 0.080 (3) and 0.041 (3) Å. In the crystal, pairs of molecules are linked by N—H⋯O and weak C—H⋯O hydrogen bonds involving the same acceptor atom, forming inversion dimers. In addition, π–π stacking interactions between the phthalimide groups, with a centroid–centroid distance of 3.7736 (13) Å, and further weak C—H⋯O hydrogen bonds connect the inversion dimers into columns along [0[Image: see text]1]. International Union of Crystallography 2018-06-08 /pmc/articles/PMC6038616/ /pubmed/30002885 http://dx.doi.org/10.1107/S2056989018008277 Text en © Brovarets et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Brovarets, V. S. Golovchenko, O. V. Rusanov, E. B. Rusanova, J. A. Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
title | Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
title_full | Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
title_fullStr | Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
title_full_unstemmed | Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
title_short | Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
title_sort | crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038616/ https://www.ncbi.nlm.nih.gov/pubmed/30002885 http://dx.doi.org/10.1107/S2056989018008277 |
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